Crystallography Open Database

Information card for entry 7057782

Preview

Coordinates	7057782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H96 Cu9 N28 O22
Calculated formula	C77 H96 Cu9 N28 O22
Title of publication	Solution behavior and magnetic properties of a novel nonanuclear copper(ii) cluster
Authors of publication	Ji, Bao-Qian; Jagodič, Marko; Ma, Hui-Yan; Su, Hai-Feng; Li, Yun-Wu; Tung, Chen-Ho; Sun, Di
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	22
Pages of publication	17884
a	13.976 ± 0.006 Å
b	14.608 ± 0.006 Å
c	24.623 ± 0.01 Å
α	92.253 ± 0.005°
β	87.947 ± 0.005°
γ	108.482 ± 0.005°
Cell volume	4763 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1904
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.197
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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